SCHEMBL5475673

SCHEMBL5475673

COc1cccc([C@]2(C#N)CC[C@H](NC(C)=O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
PDE4B Q07343 2/20 0.45
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KCNA3 P22001 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
ADAM17 P78536 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5475670 1.00 KMT2A (0.56) KMT2AMTNR1AMTNR1BPDE4BALDH1A1
SCHEMBL5475679 1.00 KMT2A (0.56) KMT2AMTNR1AMTNR1BPDE4BALDH1A1
SCHEMBL5482434 0.91 KMT2A (0.56) KMT2APDE4BALDH1A1NPC1RAB9A
SCHEMBL5482439 0.91 KMT2A (0.56) KMT2APDE4BALDH1A1NPC1RAB9A
SCHEMBL5482445 0.91 KMT2A (0.56) KMT2APDE4BALDH1A1NPC1RAB9A
SCHEMBL5473360 0.87 KMT2A (0.52) KMT2APDE4BALDH1A1NPC1RAB9A
SCHEMBL5473354 0.87 KMT2A (0.52) KMT2APDE4BALDH1A1NPC1RAB9A
SCHEMBL5473357 0.87 KMT2A (0.52) KMT2APDE4BALDH1A1NPC1RAB9A
SCHEMBL4876665 0.83 NAAA (0.51) KMT2APDE4BALDH1A1NPC1RAB9A
SCHEMBL4876655 0.83 NAAA (0.51) KMT2APDE4BALDH1A1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885MTNR1A 623/4885MTNR1B 933/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.